Geometry & MOs

Info

ID:

442928

PubChem CID:

135256935

Reduced:

FO2N10H21C27 (1)

Stoich.:

AB2C10D21E27 (1)

Weight, g/mol:

536.219684

ΔHf, kcal/mol:

80.76

Dipole, Da:

9.66

IP(EA), eV:

 -8.95(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[6-(6-fluoro-2-methylpyridin-3-yl)pyridin-3-yl]methyl]-5-[4-methyl-6-[[(2E)-2-(methylaminomethylidene)imidazol-4-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=C(N=C2)C(=O)NCC3=CN=C(C=C3)C4=CN=C(C=C4)OC)F)NC5=CN=C(N5)C#N

DOS

IR

Vibrations